3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C12H10ClF3N2S — CID 55021270

IUPAC3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C12H10ClF3N2S/c1-7-2-3-9(19-7)6-18-11-10(13)4-8(5-17-11)12(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyHVLRNZGFQNNOLS-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.74
Rot. Bonds3

About 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 55021270) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID55021270
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC Name3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)s1
InChIInChI=1S/C12H10ClF3N2S/c1-7-2-3-9(19-7)6-18-11-10(13)4-8(5-17-11)12(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyHVLRNZGFQNNOLS-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 55021270) is 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)s1.
What is the InChIKey of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HVLRNZGFQNNOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c1-7-2-3-9(19-7)6-18-11-10(13)4-8(5-17-11)12(14,15)16/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.74 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 55021270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).